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Materials Data on Tl(CoSe)2 by Materials Project

TlCo2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.34 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.44 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Co+1.50+ and four equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl2CoSe2 by Materials Project

Co(TlSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two cobalt molecules and one TlSe framework. In the TlSe framework, Tl1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing TlSe4 tetrahedra. All Tl–Se bond lengths are 3.13 Å. Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Se2- atom. The Se–Se bond length is 2.40 Å.

36 MATERIALS SCIENCE↗